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BioLiP

PDB CCD ID: A1AZP
Number of entries in BioLiP: 1
Chemical formula: C16 H15 F3 N4
InChI: InChI=1S/C16H15F3N4/c1-9(2)10-3-4-13-14(22-8-23(13)7-10)11-5-12(16(17,18)19)15(20)21-6-11/h3-9H,1-2H3,(H2,20,21)
InChIKey: MQVIMOBDRXHSME-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CC(C)c1ccc2n(cnc2c3cnc(N)c(c3)C(F)(F)F)c1
OpenEye OEToolkits 2.0.7CC(C)c1ccc2c(ncn2c1)c3cc(c(nc3)N)C(F)(F)F
ACDLabs 12.01FC(F)(F)c1cc(cnc1N)c1ncn2cc(ccc12)C(C)C
Name:(5P)-5-[(4R)-6-(propan-2-yl)imidazo[1,5-a]pyridin-1-yl]-3-(trifluoromethyl)pyridin-2-amine
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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